(11R,17R,18R)-17-(4-hydroxyphenyl)-16-oxa-1,6,10,23-tetraazatetracyclo[9.8.6.2¹²,¹⁵.0¹⁴,¹⁸]heptacosa-12,14,26-triene-19,24-dione
AlkaPlorer ID: AK336128
Synonym: None
IUPAC Name: (11S,17S,18R)-17-(4-hydroxyphenyl)-16-oxa-1,6,10,23-tetrazatetracyclo[9.8.6.212,15.014,18]heptacosa-12,14,26-triene-19,24-dione
Structure
SMILES: O=C1[C@@H]2C3=CC(=CC=C3O[C@@H]2C2=CC=C(O)C=C2)[C@@H]2CC(O)=NCCCN1CCCCNCCCN2
InChI: InChI=1S/C28H36N4O4/c33-21-8-5-19(6-9-21)27-26-22-17-20(7-10-24(22)36-27)23-18-25(34)31-14-4-16-32(28(26)35)15-2-1-11-29-12-3-13-30-23/h5-10,17,23,26-27,29-30,33H,1-4,11-16,18H2,(H,31,34)/t23-,26+,27+/m0/s1
InChIKey: ASCIWXOCZAWSON-HUROMRQRSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aphelandra squarrosa | Aphelandra | Acanthaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 492.62000000000046
TPSA？: 106.42
MolLogP？: 3.592600000000001
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|